tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate

C12H16BrNO2S2 — CID 163992532

IUPACtert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C)Cc2sc(Br)cc2S1
InChIInChI=1S/C12H16BrNO2S2/c1-11(2,3)16-10(15)14-12(4)6-8-7(18-12)5-9(13)17-8/h5H,6H2,1-4H3,(H,14,15)
InChIKeyUBWJWMFVSTVTAA-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.40
Rot. Bonds1

About tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate

tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate (PubChem CID 163992532) has the molecular formula C12H16BrNO2S2 and a molecular weight of 350.30 g/mol. Its IUPAC name is tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate
PubChem CID163992532
Molecular FormulaC12H16BrNO2S2
Molecular Weight350.30 g/mol
Exact Mass348.98
IUPAC Nametert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C)Cc2sc(Br)cc2S1
InChIInChI=1S/C12H16BrNO2S2/c1-11(2,3)16-10(15)14-12(4)6-8-7(18-12)5-9(13)17-8/h5H,6H2,1-4H3,(H,14,15)
InChIKeyUBWJWMFVSTVTAA-UHFFFAOYSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(5-bromothieno[3,2-b]thiophen-2-yl)carbamate
CID 59015272
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tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
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1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxocyclopropane-1-carboxylic acid
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tert-butyl N-(2-bromo-5-chlorothiophen-3-yl)carbamate
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tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate
CID 126970299
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-(3-bromo-4-fluorophenyl)cyclobutyl]carbamate
CID 129056408
tert-butyl N-[1-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propan-2-yl]carbamate
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(2R)-2-(5-bromothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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CID 105467655

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate (CID 163992532) is tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate is CC(C)(C)OC(=O)NC1(C)Cc2sc(Br)cc2S1.
What is the InChIKey of tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate?
The InChIKey is UBWJWMFVSTVTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S2/c1-11(2,3)16-10(15)14-12(4)6-8-7(18-12)5-9(13)17-8/h5H,6H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate?
tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate has a molecular weight of 350.30 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-bromo-5-methyl-6H-thieno[3,2-b]thiophen-5-yl)carbamate is sourced from PubChem (CID 163992532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).